Model studies of interactions between am
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Milan Remko; Ludovit Krasnec
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Article
📅
1980
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Elsevier Science
⚖ 480 KB
The semi-empirical PCILO (Perturbative Configuration Interaction using Localized Orbitals) method has been used to study intermolecular hydrogen bonding and proton transfer in the acetic acid -imidazole system. The effect of specific hydration on the proton potential functions was investigated (with